N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

C15H27N3S — CID 65043267

IUPACN-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SCC(C)CNC(C)(C)C)nc(C)c1C
InChIInChI=1S/C15H27N3S/c1-10(8-16-15(5,6)7)9-19-14-17-12(3)11(2)13(4)18-14/h10,16H,8-9H2,1-7H3
InChIKeyGFMARYXQHJBTLK-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.52
Rot. Bonds5

About N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 65043267) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID65043267
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SCC(C)CNC(C)(C)C)nc(C)c1C
InChIInChI=1S/C15H27N3S/c1-10(8-16-15(5,6)7)9-19-14-17-12(3)11(2)13(4)18-14/h10,16H,8-9H2,1-7H3
InChIKeyGFMARYXQHJBTLK-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 65043267) is N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is Cc1nc(SCC(C)CNC(C)(C)C)nc(C)c1C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is GFMARYXQHJBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10(8-16-15(5,6)7)9-19-14-17-12(3)11(2)13(4)18-14/h10,16H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 65043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).